SCHEMBL4725465

SCHEMBL4725465

c1ccc2nc3[nH]c(-c4c[nH]c5ccccc45)cc3cc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.55
PDGFRA P16234 1/20 0.55
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GPR55 Q9Y2T6 1/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4776382 0.84 SMN1; SMN2 (0.56) PDGFRBPDGFRAMAPTALDH1A1LMNA
SCHEMBL1748617 0.80 RIPK1 (0.57) PDGFRBPDGFRATDO2ADRA1AADRA1B
SCHEMBL2476987 0.80 CHEK1 (0.54) PDGFRBPDGFRAMAPTALDH1A1LMNA
SCHEMBL4725457 0.77 RAB9A (0.52) PDGFRBMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL1778743 0.75 GSK3B (0.61) PDGFRBPDGFRAMAPTALDH1A1LMNA
SCHEMBL28292542 0.75 PDGFRB (0.58) PDGFRBPDGFRAMAPTALDH1A1LMNA
SCHEMBL7713938 0.71 AR (0.64) PDGFRBPDGFRAMAPTALDH1A1LMNA
SCHEMBL8171583 0.71 PDGFRB (1.00) PDGFRBPDGFRAMAPTALDH1A1LMNA
Ammonia Solution, Strong SCHEMBL28872779 0.70 AR (0.62) PDGFRBPDGFRAMAPTALDH1A1LMNA
SCHEMBL18463852 0.70 ITK (0.57) PDGFRBPDGFRAMAPTALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008014249-A2 IMPROVED PREPARATIONS OF 2 -SUBSTITUTED PYRROLO [2, 3-B] PYRAZINE ( 4, 7 -DIAZAINDOLE ) COMPOUNDS SANOFI-AVENTIS (FR) 2008-01-31 WO disclosed